ethyl 3-(4-phenylsulfanylbutanoylamino)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-(4-phenylsulfanylbutanoylamino)-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-(4-phenylsulfanylbutanoylamino)benzofuran-2-carboxylate CAS Name: 3-[[1-oxo-4-(phenylthio)butyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-phenylsulfanylbutanoylamino)-1-benzofuran-2-carboxylate Traditional Name: 3-[4-(phenylthio)butanoylamino]coumarilic acid ethyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21NO4S/c1-2-25-21(24)20-19(16-11-6-7-12-17(16)26-20)22-18(23)13-8-14-27-15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,22,23)